5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine

C18H28N2 — CID 64932001

IUPAC5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine
SMILESCCC1CNC(C)(C2CC2)CN1C(C)c1ccccc1
InChIInChI=1S/C18H28N2/c1-4-17-12-19-18(3,16-10-11-16)13-20(17)14(2)15-8-6-5-7-9-15/h5-9,14,16-17,19H,4,10-13H2,1-3H3
InChIKeyPELJCCAJPYGUTL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine

5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine (PubChem CID 64932001) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine
PubChem CID64932001
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine
SMILESCCC1CNC(C)(C2CC2)CN1C(C)c1ccccc1
InChIInChI=1S/C18H28N2/c1-4-17-12-19-18(3,16-10-11-16)13-20(17)14(2)15-8-6-5-7-9-15/h5-9,14,16-17,19H,4,10-13H2,1-3H3
InChIKeyPELJCCAJPYGUTL-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine (CID 64932001) is 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine is CCC1CNC(C)(C2CC2)CN1C(C)c1ccccc1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine?
The InChIKey is PELJCCAJPYGUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-17-12-19-18(3,16-10-11-16)13-20(17)14(2)15-8-6-5-7-9-15/h5-9,14,16-17,19H,4,10-13H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine?
5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine is sourced from PubChem (CID 64932001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).